DANAZOL
| SMILES | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C |
| InChIKey | POZRVZJJTULAOH-LHZXLZLDSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 337.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 4.98 | 4.98 | 4.98 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.05 | 5.05 | 5.05 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 4.99 | 4.99 | 4.99 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.01 | 5.01 | 5.01 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.2 | 5.2 | 5.2 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| κ | OPRK | Human | Opioid | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 4.63 | 4.63 | 4.63 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 4.58 | 4.58 | 4.58 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 4.62 | 4.62 | 4.62 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 4.77 | 4.77 | 4.77 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 4.74 | 4.74 | 4.74 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.75 | 4.75 | 4.75 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 4.69 | 4.69 | 4.69 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.05 | 5.05 | 5.05 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 4.54 | 4.54 | 4.54 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 4.95 | 4.95 | 4.95 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 4.81 | 4.81 | 4.81 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 4.85 | 4.85 | 4.85 | ChEMBL |